2-azanyl-5-methylsulfonyl-4-piperidin-1-yl-benzoic acid

Systemtic Name: 2-azanyl-5-methylsulfonyl-4-piperidin-1-yl-benzoic acid Openeye Name: 2-amino-5-methylsulfonyl-4-(1-piperidyl)benzoic acid CAS Name: 2-amino-5-methylsulfonyl-4-(1-piperidinyl)benzoic acid IUPAC Name: 2-amino-5-methylsulfonyl-4-piperidin-1-ylbenzoic acid Traditional Name: 2-amino-5-mesyl-4-piperidino-benzoic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)N)N2CCCCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)N)N2CCCCC2

InChI

InChI=1S/C13H18N2O4S/c1-20(18,19)12-7-9(13(16)17)10(14)8-11(12)15-5-3-2-4-6-15/h7-8H,2-6,14H2,1H3,(H,16,17)